http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FGLNS0006 2026-05-17T18:34:52Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FGLNS0006&diff=186954&oldid=prev 2009-03-14T00:00:00Z

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<p></p> <p><b>New page</b></p><div>&lt;pre&gt;<br /> <br /> Copyright: ARM project http://www.metabolome.jp/<br /> 31 33 0 0 0 0 0 0 0 0999 V2000<br /> -2.6513 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3798 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7399 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3715 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6429 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2828 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7315 -0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3631 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6346 0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2745 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5199 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2663 1.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3859 1.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7614 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4847 2.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1675 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5429 1.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4685 -1.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4441 2.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2730 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2577 1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0936 -0.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2966 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2366 0.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.0558 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8601 2.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6820 2.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1282 2.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9475 2.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7576 1.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7538 1.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 1 0 0 0 0<br /> 2 3 2 0 0 0 0<br /> 3 4 1 0 0 0 0<br /> 4 5 2 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 6 1 2 0 0 0 0<br /> 4 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 2 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 9 12 1 0 0 0 0<br /> 12 13 2 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 14 15 2 0 0 0 0<br /> 15 16 1 0 0 0 0<br /> 16 17 2 0 0 0 0<br /> 17 12 1 0 0 0 0<br /> 3 18 1 0 0 0 0<br /> 16 19 1 0 0 0 0<br /> 6 20 1 0 0 0 0<br /> 20 21 1 0 0 0 0<br /> 2 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 1 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 15 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 17 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 14 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> M STY 1 6 SUP<br /> M SLB 1 6 6<br /> M SAL 6 2 30 31<br /> M SBL 6 1 32<br /> M SMT 6 OCH3<br /> M SVB 6 32 1.8838 -0.0612<br /> M STY 1 5 SUP<br /> M SLB 1 5 5<br /> M SAL 5 2 28 29<br /> M SBL 5 1 30<br /> M SMT 5 OCH3<br /> M SVB 5 30 0.183 1.4185<br /> M STY 1 4 SUP<br /> M SLB 1 4 4<br /> M SAL 4 2 26 27<br /> M SBL 4 1 28<br /> M SMT 4 OCH3<br /> M SVB 4 28 2.241 1.127<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 24 25<br /> M SBL 3 1 26<br /> M SMT 3 OCH3<br /> M SVB 3 26 -2.5983 0.4428<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 22 23<br /> M SBL 2 1 24<br /> M SMT 2 OCH3<br /> M SVB 2 24 -2.9555 -0.7269<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 20 21<br /> M SBL 1 1 22<br /> M SMT 1 OCH3<br /> M SVB 1 22 -1.4067 0.7182<br /> S SKP 8<br /> ID FL3FGLNS0006<br /> KNApSAcK_ID C00003980<br /> NAME Agehoustin D<br /> CAS_RN 97564-58-4<br /> FORMULA C21H22O10<br /> EXACTMASS 434.121296924<br /> AVERAGEMASS 434.39338<br /> SMILES COc(c3OC)cc(c(c3O)OC)C(O2)=CC(c(c21)c(c(c(c(OC)1)OC)OC)O)=O<br /> M END<br /> &lt;/pre&gt;</div>

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